./iterations/neb1_max2_image01_iter133_OSZICAR.out output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.284930166462E+03 0.28493E+03 -0.14244E+04 376 0.704E+02
DAV: 2 0.311707483710E+02 -0.25376E+03 -0.24550E+03 528 0.135E+02
DAV: 3 -0.427095820889E+02 -0.73880E+02 -0.63362E+02 508 0.668E+01
DAV: 4 -0.571772703746E+02 -0.14468E+02 -0.10937E+02 608 0.238E+01
DAV: 5 -0.588778638573E+02 -0.17006E+01 -0.15991E+01 560 0.939E+00 0.261E+01
DAV: 6 -0.115256376932E+03 -0.56379E+02 -0.66198E+02 656 0.427E+01 0.476E+01
DAV: 7 -0.528949887175E+02 0.62361E+02 -0.62632E+01 553 0.174E+01 0.274E+01
DAV: 8 -0.461272543969E+02 0.67677E+01 -0.34292E+01 584 0.146E+01 0.240E+01
DAV: 9 -0.436792708993E+02 0.24480E+01 -0.59247E+00 608 0.581E+00 0.232E+01
DAV: 10 -0.411370781881E+02 0.25422E+01 -0.31171E+00 673 0.283E+00 0.278E+01
DAV: 11 -0.426974781759E+02 -0.15604E+01 -0.47875E+01 649 0.444E+00 0.190E+01
DAV: 12 -0.438158802130E+02 -0.11184E+01 -0.15296E+01 616 0.689E+00 0.224E+01
DAV: 13 -0.397360989494E+02 0.40798E+01 -0.53346E+00 656 0.470E+00 0.196E+01
DAV: 14 -0.393717910611E+02 0.36431E+00 -0.28615E+00 601 0.229E+00 0.110E+01
DAV: 15 -0.398215390314E+02 -0.44975E+00 -0.31730E+00 649 0.186E+00 0.163E+01
DAV: 16 -0.398078463899E+02 0.13693E-01 -0.26895E+00 688 0.176E+00 0.171E+01
DAV: 17 -0.396464449706E+02 0.16140E+00 -0.44017E+00 584 0.190E+00 0.103E+01
DAV: 18 -0.392543981182E+02 0.39205E+00 -0.94541E-01 560 0.151E+00 0.927E+00
DAV: 19 -0.391675327734E+02 0.86865E-01 -0.52106E-01 688 0.898E-01 0.736E+00
DAV: 20 -0.391277522078E+02 0.39781E-01 -0.35249E-01 688 0.658E-01 0.456E+00
DAV: 21 -0.391210767412E+02 0.66755E-02 -0.98222E-02 515 0.461E-01 0.328E+00
DAV: 22 -0.391470192816E+02 -0.25943E-01 -0.30665E-01 656 0.429E-01 0.570E+00
DAV: 23 -0.392399112757E+02 -0.92892E-01 -0.11210E-01 625 0.405E-01 0.111E+01
DAV: 24 -0.392123572140E+02 0.27554E-01 -0.33363E-03 432 0.266E-01 0.113E+01
DAV: 25 -0.391677070815E+02 0.44650E-01 -0.84231E-03 649 0.955E-02 0.971E+00
DAV: 26 -0.391118146014E+02 0.55892E-01 -0.90677E-02 608 0.261E-01 0.482E+00
DAV: 27 -0.391688960802E+02 -0.57081E-01 -0.31301E-01 582 0.501E-01 0.567E+00
DAV: 28 -0.392383313562E+02 -0.69435E-01 -0.89634E-02 404 0.484E-01 0.908E+00
DAV: 29 -0.391652261174E+02 0.73105E-01 -0.38321E-02 626 0.255E-01 0.680E+00
DAV: 30 -0.391277612250E+02 0.37465E-01 -0.15126E-01 688 0.249E-01 0.397E+00
DAV: 31 -0.391707092533E+02 -0.42948E-01 -0.16581E-02 436 0.236E-01 0.575E+00
DAV: 32 -0.391481574779E+02 0.22552E-01 -0.43915E-02 672 0.167E-01 0.382E+00
DAV: 33 -0.391445825276E+02 0.35750E-02 -0.17321E-02 450 0.164E-01 0.237E+00
DAV: 34 -0.391426265571E+02 0.19560E-02 -0.37740E-02 680 0.176E-01 0.373E-01
DAV: 35 -0.391486259737E+02 -0.59994E-02 -0.22042E-03 397 0.140E-01 0.232E-01
DAV: 36 -0.391506268768E+02 -0.20009E-02 -0.30705E-03 608 0.782E-02 0.993E-01
DAV: 37 -0.391495270762E+02 0.10998E-02 -0.18809E-03 468 0.736E-02 0.380E-01
DAV: 38 -0.391501652422E+02 -0.63817E-03 -0.10239E-03 592 0.487E-02 0.306E-01
DAV: 39 -0.391509369326E+02 -0.77169E-03 -0.21990E-03 500 0.532E-02 0.561E-01
DAV: 40 -0.391503584946E+02 0.57844E-03 -0.97899E-04 420 0.391E-02 0.788E-02
DAV: 41 -0.391507877226E+02 -0.42923E-03 -0.74026E-05 402 0.272E-02 0.759E-02
DAV: 42 -0.391508938820E+02 -0.10616E-03 -0.15651E-04 260 0.158E-02 0.179E-01
DAV: 43 -0.391508698649E+02 0.24017E-04 -0.90141E-05 276 0.169E-02 0.241E-02
DAV: 44 -0.391509123289E+02 -0.42464E-04 -0.45838E-05 230 0.120E-02 0.101E-01
DAV: 45 -0.391509027623E+02 0.95667E-05 -0.29345E-05 230 0.868E-03
1 F= -.39150903E+02 E0= -.39048198E+02 d E =-.308116E+00